Molecule card · MolClass #45693
7973516
7973516: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 7973516Mitochondrial Fusion · compound_name
- MolClass ID
- 45693
- InChIKey
- DKOKZMUXKPIHKX-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(c(c1)OC)C2C(C(C)=O)=C(O)C(=O)N2(C)
- Standard InChI
- InChI=1S/C15H17NO5/c1-8(17)12-13(16(2)15(19)14(12)18)10-6-5-9(20-3)7-11(10)21-4/h5-7,13,18H,1-4H3
- Stored Murcko scaffold
- [N]1[CH]C=CC1c2ccccc2
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
- 851510#46064
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 291.3 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.603
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 7973516